Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-2.4225 -5.1695 2.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6186 -3.9482 2.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8243 -3.7791 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 -2.9435 0.3532 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6406 -1.6569 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3496 -1.1303 1.6326 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 -0.7550 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 -0.3676 1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 0.4615 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1241 1.0778 1.8354 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9991 0.6425 -0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1094 1.4186 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 0.9256 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5406 -0.1721 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 0.3581 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 1.4130 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 1.2025 -2.3534 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3210 2.6561 -0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3365 3.6833 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 4.1999 -2.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6585 3.7891 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 -1.5417 -0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4096 -6.0306 2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 -5.3150 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6276 -3.0998 3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8694 -4.7484 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8125 -3.2608 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7845 -1.3382 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 0.1063 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9784 2.4906 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2284 1.4402 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2851 1.5313 -0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7065 -0.7857 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5137 -0.5044 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 -0.1675 -1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0018 0.8275 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 3.3245 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6081 4.5077 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0130 4.9883 -3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2008 3.0246 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1735 4.2346 -3.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -1.5893 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers